SCHEMBL6599505

SCHEMBL6599505

Cc1c(P(c2ccccc2)c2ccccc2)ccc2c1C(C)c1ccccc1O2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.37
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
DRD1 P21728 1/20 0.33
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 4/20 0.31
MEN1 O00255 3/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.30
TP53 P04637 1/20 0.30
HTT P42858 1/20 0.30
USP2 O75604 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11127247 0.77 MAOA (0.41) GRM2MAOAMAOBFFAR4KMT2A
SCHEMBL31209922 0.74 DRD1 (0.33) GRM2DRD1TP53HTT
SCHEMBL367139 0.71 GRM2 (0.44) GRM2MAOAMAOBFFAR4CYP2C9
SCHEMBL6698586 0.70 MAOA (0.40) GRM2MAOAMAOBFFAR4KMT2A
SCHEMBL436702 0.69 MAOA (0.58) MAOAMAOBFFAR4CYP2C9KMT2A
SCHEMBL29797921 0.69 MAOA (0.58) MAOAMAOBFFAR4CYP2C9KMT2A
SCHEMBL2658104 0.69 DRD1 (0.37) GRM2MAOAMAOBDRD1CYP2C9
SCHEMBL20057 0.69 DRD1 (0.47) DRD1
SCHEMBL995579 0.68 DRD1 (0.43) DRD1
SCHEMBL29289989 0.66 GRM2 (0.43) GRM2MAOAMAOBCYP2C9KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395557-A1 4-(phenyl-(piperidin-4-yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders AstraZeneca AB (SE) 2004-03-10 EP disclosed
EP-1395555-A1 4-(PHENYL-(PIPERIDIN-4-YL)-AMINO)-BENZAMIDE DERATIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS AstraZeneca AB (SE) 2004-03-10 EP disclosed
WO-2002094785-A1 4-(phenyl-(piperidin-4-yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2002-11-28 WO disclosed
WO-2002094782-A1 4-(PHENYL-(PIPERIDIN-4-YL)-AMINO)-BENZAMIDE DERATIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2002-11-28 WO disclosed